Homec4science
Diffusion lammps (lammps-icms) Graph

lammps/src
lammps-icms

History Graph

CommitAuthorDetailsCommitted
2dd61ffedae2Axel Kohlmeyer
Merge branch 'valgrind_errors' of https://github.com/rbberger/lammps into merge… 
Aug 21 2016
ebbed707c6cfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 21 2016
d4891754c862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7… 
Aug 21 2016
6ccf4b452592sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7… 
Aug 21 2016
bfba361f65f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7… 
Aug 21 2016
180776e4f702aaramoon
fix_bond_create_updated 
Aug 17 2016
579c52771813Axel Kohlmeyer
fix indexing bugs in accessing compute and fix labels in fix ave/histo 
Aug 17 2016
a27c2759b488Anders Hafreager
Remembering to clean up memory with new arrays in vashishta. 
Aug 17 2016
233a1c3e84a3Anders Hafreager
Added 3-body neighbor list building for faster short range 3 body forces. 
Aug 17 2016
08228bd62d12Anders Hafreager
Added tabulated version of vashishta potential 
Aug 17 2016
c998f7b81fb7Richard Berger
Remove memory leak and unnecessary allocation 
Aug 16 2016
054256cf0a85Richard Berger
Add missing initialization 
Aug 16 2016
27d36f3f145bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 14 2016
ac6f4f8a5672Axel Kohlmeyer
correct small (but harmless) logic error. 
Aug 13 2016
650359087584sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7… 
Aug 13 2016
2c9eef57d06asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7… 
Aug 13 2016
eba3ad9abb37Axel Kohlmeyer
update colvars to version 2016-08-10 
Aug 13 2016
e338a2f38619Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 13 2016
60bf26bad9c6Axel Kohlmeyer
silence warnings about cases, that cannot happen 
Aug 13 2016
63b41cb1390aAxel Kohlmeyer
fix bug found by coverity scan 
Aug 13 2016
ff933712b73fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7… 
Aug 12 2016
bc7c97b88231Axel Kohlmeyer
remove duplicated statement 
Aug 11 2016
c6ef337b2eb0Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 11 2016
2b052c2a9c8eAxel Kohlmeyer
improve the weight assignment algorithm for compute time based balancing 
Aug 11 2016
639ea6c39647sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7… 
Aug 10 2016
aef16fed2a27Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 10 2016
de2b6cf6bde1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7… 
Aug 9 2016
8d2fc6b14f39Axel Kohlmeyer
perform stage 2 of python2/3 compatibility conversion with futurize 
Aug 9 2016
2495bee1d8b4Axel Kohlmeyer
process with futurize -1 to increase its portability. 
Aug 9 2016
ad652c9b82b0Axel Kohlmeyer
port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp 
Aug 9 2016
0369d79c398aAxel Kohlmeyer
change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and… 
Aug 9 2016
6c8d3ed4e849sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7… 
Aug 9 2016
ae691ab7865bAxel Kohlmeyer
import updated pair lj/sf/dipole/sf files from sam genheden 
Aug 9 2016
96e415ad8af4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 9 2016
550be1d5129esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7… 
Aug 8 2016
056ff192c619sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7… 
Aug 8 2016
93554fac5e3eAxel Kohlmeyer
plug small memory leak 
Aug 7 2016
797c6dc2dd27Axel Kohlmeyer
remove upper limit for weigh factor on neighbor list and time weights 
Aug 7 2016
5405622f3bdaAxel Kohlmeyer
add new imbalance module store, which allows to store weights in an atom… 
Aug 7 2016
280aef55d2b7Axel Kohlmeyer
convert from using fix property/atom to using fix store 
Aug 7 2016
b3bd35c7beefAxel Kohlmeyer
whitespace cleanup 
Aug 7 2016
fcba14a0aa97Axel Kohlmeyer
properly handle the case of neighbor lists never been computed before 
Aug 6 2016
c00aa3c600c0Axel Kohlmeyer
plug small memory leak 
Aug 6 2016
529417f86c4dAxel Kohlmeyer
simplify and correct logic to pass weight to balancer algorithms 
Aug 6 2016
6a519e5eefb5Axel Kohlmeyer
correct string hanlding with building custom property label 
Aug 6 2016
4c26534245e2Axel Kohlmeyer
we cannot add a fix while creating a fix. move fix addintion to Fix::init() 
Aug 6 2016
1da862b44077Axel Kohlmeyer
rewrote balancing to use per-atom data stored via fix property/atom 
Aug 6 2016
4b3783d18c3dAxel Kohlmeyer
custom property names should be compatible with string literals 
Aug 6 2016
62443e27bc14Axel Kohlmeyer
Merge branch 'lammps-icms' into balance-refactor 
Aug 6 2016
78b47137ba70Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 6 2016
decd072117f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7… 
Aug 5 2016
2d694f934e36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 f3b2605a-c512-4ea7… 
Aug 5 2016
9a9897cd447fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7… 
Aug 5 2016
290cbb9b9126Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 5 2016
cd01e5855d2cAxel Kohlmeyer
Merge branch 'lammps-icms' into balance-refactor 
Aug 5 2016
0f2e7241900bAxel Kohlmeyer
create/use a ke compute instead of converting from temperature 
Aug 4 2016
a19ea3ee5e16Axel Kohlmeyer
remove unused variable 
Aug 4 2016
f4f8ce57a53eAxel Kohlmeyer
port changes to dump file formatting from upstream to COMPRESS package 
Aug 4 2016
73368211c536Axel Kohlmeyer
fix bug introduced by steve. 
Aug 4 2016
88062030752aAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Aug 4 2016
ca1050f5875bAxel Kohlmeyer
delete redundant code and add comment to avoid doing this in the future 
Aug 4 2016
0bffc1711e3esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7… 
Aug 4 2016
2a90afe7e9a1Axel Kohlmeyer
fix optional argument scanning bug 
Aug 4 2016
f884bb2c92ecAxel Kohlmeyer
remove unused class member 
Aug 4 2016
71ef6fb4d95aAxel Kohlmeyer
incorporate refactored weighting into fix balance 
Aug 4 2016
ecbbdc2e7ff0Axel Kohlmeyer
convert weight array from class member to local pointer to temporary storage 
Aug 4 2016
ad0633f7c142Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 4 2016
d40de42af861Axel Kohlmeyer
proof-of-concept implementation for neighbor list based balancing with yet… 
Aug 4 2016
3f674e5062aaAxel Kohlmeyer
re-factored balance command now works with group and time weights 
Aug 4 2016
a93e6e83ed58sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 f3b2605a-c512-4ea7… 
Aug 3 2016
1f6518400e83sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15429 f3b2605a-c512-4ea7… 
Aug 3 2016
8ff0085cba09Axel Kohlmeyer
complete implementation for group based imbalance class 
Aug 3 2016
be6c086cb4c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7… 
Aug 3 2016
b3664c217b1eAxel Kohlmeyer
port code from serial implementation to /omp version 
Aug 3 2016
c8072e95bb53Axel Kohlmeyer
apply NEIGHMASK in inner loops 
Aug 3 2016
38226b808685sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15426 f3b2605a-c512-4ea7… 
Aug 3 2016
362a26a3def0Axel Kohlmeyer
prototype implementation for extensible imbalance scheme 
Aug 3 2016
7faba0408985Axel Kohlmeyer
fix subtle 64-bit integer bug in fix print and fix store/state 
Aug 3 2016
b44492ee05abAxel Kohlmeyer
fix elusive uninitialized data bug reported by valgrind 
Aug 2 2016
bda51f2baccaAxel Kohlmeyer
be a bit more paranoid about initializing data structures 
Aug 2 2016
f758a4f4d06fAxel Kohlmeyer
make it so that dynamic load balancing only uses the timing since the last… 
Aug 2 2016
f14e9cee83daAxel Kohlmeyer
minor tweaks and comment fixes 
Aug 2 2016
af224028a925Axel Kohlmeyer
improve c++-11 compliance. replace variable size stack allocation. 
Aug 2 2016
2e0b9cae2980Axel Kohlmeyer
whitespace cleanup 
Aug 2 2016
b635930cfd98Axel Kohlmeyer
Merge branch 'lammps-icms' into balance-by-time 
Aug 2 2016
cc487af9e494Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 2 2016
9ea86965c57aAxel Kohlmeyer
disable debug output and include bond cost as well 
Aug 2 2016
2a57dc6db460Axel Kohlmeyer
implement wall clock based load balancing cost function support 
Aug 2 2016
495ab323d1fdAxel Kohlmeyer
remove unused function prototype 
Aug 2 2016
5a81288329e1Axel Kohlmeyer
implement modified version of balance and fix balance according to steve's… 
Aug 2 2016
7326f8852106sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15422 f3b2605a-c512-4ea7… 
Aug 2 2016
98aee0515239sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15418 f3b2605a-c512-4ea7… 
Aug 1 2016
e6c5898e5371sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15417 f3b2605a-c512-4ea7… 
Aug 1 2016
a9a8a599d0fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15416 f3b2605a-c512-4ea7… 
Aug 1 2016
0995ab4b65c3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15415 f3b2605a-c512-4ea7… 
Aug 1 2016
ce5f17428184sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15414 f3b2605a-c512-4ea7… 
Aug 1 2016
fa856c7657adAxel Kohlmeyer
undo changes to Group class 
Aug 1 2016
aaac40dcb4d8Axel Kohlmeyer
Merge branch 'weighted_load_balance' of https://github.com/ibethune/lammps into… 
Aug 1 2016
ef2f16a240aeAxel Kohlmeyer
more thorough checks on valid numbers when computing box/virial related… 
Aug 1 2016
a8f40013b79fAxel Kohlmeyer
remove unused variable 
Aug 1 2016
Prev
1
2
3
4
Next
c4science · Help